Installation

Required packages

pygtc is compatible with Python 2.7 and 3.6 or greater and requires the following packages:

  • numpy >= 1.7.1

  • matplotlib >= 2.2.0

  • scipy (optional)

  • packaging (typcally included with setuptools already)

  • pandas (optional – provides easy auto-naming of chains)

  • pytest (optional – only needed for running unit tests)

  • pytest-mpl (optional – only needed for running unit tests)

Downloading and installing

The latest stable version of pygtc is hosted at PyPi.

If you like pip, you can install with:

$ pip install pygtc

or, install the package hosted on conda-forge (may need to explicitly provide the channel with -c conda-forge):

$ conda install pygtc

Or, alternatively, download and extract the tarball from the above link and then install from source with:

cd /path/to/pygtc
python setup.py install

Development

Development happens at github. You can clone the repo with:

git clone https://github.com/SebastianBocquet/pygtc

And you can install it in developer mode with pip:

pip install -e /path/to/pygtc

or from source:

cd /path/to/pygtc
python setup.py develop

Running tests

For tests to for sure pass (i.e. reproduce pixel-perfect copies of our baseline images), you’ll want to have matplotlib == 3.7.2 installed and be working on python >= 3.9. Additionally you’ll need to ensure that you are using freetype ==2.12.1 (although versions as low as 2.10 may work, too). You’ll need pytest and pytest-mpl installed to run the tests, although pygtc functions fine without them. You also should have the Arial font installed, as that is pygtc’s default font and tests will “fail” if matplotlib falls back on Deja Vu Sans (even though the images produced might look perfectly fine). Test base images were produced on Windows 10 using the Agg backend. If you are on another system there is no guarantee that you will get a pixel-perfect copy of what the Agg backend produces (although when we ran them on Ubuntu 20.04 with the above version pins they all passed). However, the images produced by the tests should still look great! They are saved to a folder called result_images in whatever directory you ran the tests from.

To run the test suite, use the pytest utility from within the pygtc package directory:

cd /path/to/pygtc
pytest --mpl --mpl-results-path=./result_images

There are 25 tests to run, and it should take between 20-30 seconds to run them all. If the first test fails, there may be something wrong with your matplotlib install in general (or maybe something weird in your rcParams). If you are missing pandas or scipy, a few tests will be skipped. If you get a ton of errors make sure you read the first paragraph in this section and you have all the prerequisites installed. If matplotlib can’t find Arial and you recently installed it, delete your matplotlib font cache and try again. If you are running on matplotlib 2.x, then expect the chain label tests to fail because mpl 2 and 3 handle margins slightly differently. If errors persist, let us know at GitHub.

Contribution and/or bug reports

If you like this project and want to contribute, send a message over at the gitHub repo and get involved. If you find a bug, please open an issue at gitHub. Better yet, you can try and fix the bug and submit a pull request!